USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 CYS SG : rot 145:sc= 0.187 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.62 K(o=-0.21,f=0.65) USER MOD Set 1.3: A 45 CYS SG : rot -44:sc= -1.78! USER MOD Set 1.4: A 48 CYS SG : rot -68:sc= 1.58 USER MOD Set 1.5: A 50 THR OG1 : rot 73:sc= 1.42 USER MOD Set 2.1: A 11 CYS SG : rot -137:sc= -0.772! USER MOD Set 2.2: A 14 CYS SG : rot 138:sc= 0.211 USER MOD Set 2.3: A 31 CYS SG : rot -37:sc= -1.35! USER MOD Set 2.4: A 34 CYS SG : rot 137:sc= -0.169 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.309 USER MOD Single : A 24 GLN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.285 (180deg=0.285) USER MOD Single : A 30 SER OG : rot -82:sc= 0.556 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.146 K(o=0.15,f=-1.9) USER MOD Single : A 40 MET CE :methyl 150:sc= 0 (180deg=-0.683) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 42 ASN : amide:sc= -0.516 K(o=-0.52,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 116:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 3.392 -8.068 -11.863 1.00 0.00 N ATOM 130 CA LEU A 10 3.043 -9.058 -10.839 1.00 0.00 C ATOM 131 C LEU A 10 1.551 -8.945 -10.500 1.00 0.00 C ATOM 132 O LEU A 10 0.880 -8.018 -10.976 1.00 0.00 O ATOM 133 CB LEU A 10 3.936 -8.823 -9.591 1.00 0.00 C ATOM 134 CG LEU A 10 5.468 -9.077 -9.817 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.335 -8.560 -8.644 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.746 -10.571 -10.081 1.00 0.00 C ATOM 0 HA LEU A 10 3.222 -10.069 -11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.799 -7.796 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.590 -9.472 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 10 5.753 -8.506 -10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.386 -8.761 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.187 -7.486 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.043 -9.068 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.815 -10.721 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.416 -11.159 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.204 -10.890 -10.971 1.00 0.00 H new ATOM 148 N CYS A 11 1.035 -9.904 -9.692 1.00 0.00 N ATOM 149 CA CYS A 11 -0.389 -9.929 -9.275 1.00 0.00 C ATOM 150 C CYS A 11 -0.762 -8.598 -8.577 1.00 0.00 C ATOM 151 O CYS A 11 -0.254 -8.339 -7.490 1.00 0.00 O ATOM 152 CB CYS A 11 -0.662 -11.115 -8.323 1.00 0.00 C ATOM 153 SG CYS A 11 -2.391 -11.241 -7.743 1.00 0.00 S ATOM 0 H CYS A 11 1.587 -10.674 -9.315 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.004 -10.052 -10.167 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.395 -12.041 -8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.007 -11.027 -7.456 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.404 -11.510 -6.471 1.00 0.00 H new ATOM 158 N PRO A 12 -1.649 -7.740 -9.189 1.00 0.00 N ATOM 159 CA PRO A 12 -1.944 -6.362 -8.681 1.00 0.00 C ATOM 160 C PRO A 12 -2.548 -6.349 -7.253 1.00 0.00 C ATOM 161 O PRO A 12 -2.559 -5.315 -6.581 1.00 0.00 O ATOM 162 CB PRO A 12 -2.934 -5.795 -9.743 1.00 0.00 C ATOM 163 CG PRO A 12 -3.538 -7.005 -10.391 1.00 0.00 C ATOM 164 CD PRO A 12 -2.434 -8.037 -10.420 1.00 0.00 C ATOM 0 HA PRO A 12 -1.040 -5.764 -8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.699 -5.173 -9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.417 -5.172 -10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.398 -7.365 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.890 -6.778 -11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.832 -9.052 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.823 -7.946 -11.318 1.00 0.00 H new ATOM 172 N ILE A 13 -3.052 -7.517 -6.818 1.00 0.00 N ATOM 173 CA ILE A 13 -3.602 -7.725 -5.470 1.00 0.00 C ATOM 174 C ILE A 13 -2.474 -8.060 -4.457 1.00 0.00 C ATOM 175 O ILE A 13 -2.391 -7.458 -3.377 1.00 0.00 O ATOM 176 CB ILE A 13 -4.674 -8.881 -5.509 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.803 -8.545 -6.549 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.268 -9.154 -4.099 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.835 -9.639 -6.768 1.00 0.00 C ATOM 0 H ILE A 13 -3.089 -8.353 -7.401 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.082 -6.804 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.175 -9.796 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.319 -7.643 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.335 -8.314 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.003 -9.956 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.469 -9.447 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.749 -8.250 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.568 -9.306 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.339 -10.539 -7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.339 -9.858 -5.827 1.00 0.00 H new ATOM 191 N CYS A 14 -1.594 -9.017 -4.829 1.00 0.00 N ATOM 192 CA CYS A 14 -0.568 -9.576 -3.914 1.00 0.00 C ATOM 193 C CYS A 14 0.712 -8.734 -3.912 1.00 0.00 C ATOM 194 O CYS A 14 1.196 -8.358 -2.845 1.00 0.00 O ATOM 195 CB CYS A 14 -0.227 -11.026 -4.310 1.00 0.00 C ATOM 196 SG CYS A 14 -1.584 -12.214 -4.078 1.00 0.00 S ATOM 0 H CYS A 14 -1.573 -9.422 -5.765 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.989 -9.559 -2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.076 -11.041 -5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.631 -11.356 -3.725 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.639 -13.015 -5.101 1.00 0.00 H new ATOM 201 N TYR A 15 1.253 -8.501 -5.131 1.00 0.00 N ATOM 202 CA TYR A 15 2.536 -7.803 -5.411 1.00 0.00 C ATOM 203 C TYR A 15 3.764 -8.712 -5.171 1.00 0.00 C ATOM 204 O TYR A 15 4.703 -8.696 -5.958 1.00 0.00 O ATOM 205 CB TYR A 15 2.684 -6.455 -4.650 1.00 0.00 C ATOM 206 CG TYR A 15 1.718 -5.355 -5.116 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.814 -4.823 -6.407 1.00 0.00 C ATOM 208 CD2 TYR A 15 0.726 -4.836 -4.276 1.00 0.00 C ATOM 209 CE1 TYR A 15 0.964 -3.822 -6.836 1.00 0.00 C ATOM 210 CE2 TYR A 15 -0.120 -3.836 -4.707 1.00 0.00 C ATOM 211 CZ TYR A 15 0.002 -3.333 -5.984 1.00 0.00 C ATOM 212 OH TYR A 15 -0.841 -2.329 -6.412 1.00 0.00 O ATOM 0 H TYR A 15 0.789 -8.807 -5.986 1.00 0.00 H new ATOM 0 HA TYR A 15 2.502 -7.560 -6.473 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.527 -6.633 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.707 -6.097 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.568 -5.203 -7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.621 -5.225 -3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.055 -3.425 -7.836 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.878 -3.447 -4.044 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.464 -2.096 -5.692 1.00 0.00 H new ATOM 222 N ALA A 16 3.732 -9.519 -4.097 1.00 0.00 N ATOM 223 CA ALA A 16 4.855 -10.395 -3.701 1.00 0.00 C ATOM 224 C ALA A 16 4.951 -11.679 -4.553 1.00 0.00 C ATOM 225 O ALA A 16 5.940 -12.413 -4.458 1.00 0.00 O ATOM 226 CB ALA A 16 4.725 -10.737 -2.210 1.00 0.00 C ATOM 0 H ALA A 16 2.926 -9.585 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 16 5.781 -9.848 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.551 -11.383 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.752 -9.819 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.780 -11.252 -2.036 1.00 0.00 H new ATOM 232 N HIS A 17 3.914 -11.951 -5.366 1.00 0.00 N ATOM 233 CA HIS A 17 3.847 -13.140 -6.250 1.00 0.00 C ATOM 234 C HIS A 17 3.230 -12.733 -7.615 1.00 0.00 C ATOM 235 O HIS A 17 2.463 -11.756 -7.673 1.00 0.00 O ATOM 236 CB HIS A 17 3.021 -14.284 -5.577 1.00 0.00 C ATOM 237 CG HIS A 17 3.663 -14.905 -4.357 1.00 0.00 C ATOM 238 ND1 HIS A 17 4.650 -15.862 -4.436 1.00 0.00 N ATOM 239 CD2 HIS A 17 3.459 -14.701 -3.033 1.00 0.00 C ATOM 240 CE1 HIS A 17 5.015 -16.221 -3.226 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.309 -15.534 -2.357 1.00 0.00 N ATOM 0 H HIS A 17 3.092 -11.351 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 17 4.855 -13.520 -6.418 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.045 -13.889 -5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.846 -15.067 -6.315 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.756 -14.009 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.768 -16.957 -2.986 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.382 -15.609 -1.342 1.00 0.00 H new ATOM 250 N PRO A 18 3.545 -13.476 -8.734 1.00 0.00 N ATOM 251 CA PRO A 18 3.108 -13.101 -10.107 1.00 0.00 C ATOM 252 C PRO A 18 1.627 -13.424 -10.412 1.00 0.00 C ATOM 253 O PRO A 18 0.851 -13.807 -9.524 1.00 0.00 O ATOM 254 CB PRO A 18 4.062 -13.937 -10.997 1.00 0.00 C ATOM 255 CG PRO A 18 4.292 -15.185 -10.206 1.00 0.00 C ATOM 256 CD PRO A 18 4.374 -14.727 -8.763 1.00 0.00 C ATOM 0 HA PRO A 18 3.160 -12.024 -10.269 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.615 -14.156 -11.967 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.996 -13.408 -11.189 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.479 -15.897 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.211 -15.684 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.982 -15.482 -8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.404 -14.531 -8.464 1.00 0.00 H new ATOM 264 N ILE A 19 1.256 -13.214 -11.686 1.00 0.00 N ATOM 265 CA ILE A 19 -0.078 -13.542 -12.220 1.00 0.00 C ATOM 266 C ILE A 19 -0.084 -14.995 -12.748 1.00 0.00 C ATOM 267 O ILE A 19 0.914 -15.456 -13.319 1.00 0.00 O ATOM 268 CB ILE A 19 -0.461 -12.546 -13.384 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.416 -11.059 -12.889 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.848 -12.882 -13.990 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.684 -10.003 -13.956 1.00 0.00 C ATOM 0 H ILE A 19 1.880 -12.807 -12.382 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.813 -13.445 -11.421 1.00 0.00 H new ATOM 0 HB ILE A 19 0.282 -12.666 -14.173 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.148 -10.938 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.565 -10.869 -12.453 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.077 -12.176 -14.788 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.833 -13.894 -14.395 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.610 -12.813 -13.214 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.629 -9.011 -13.508 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.062 -10.086 -14.746 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.677 -10.156 -14.378 1.00 0.00 H new ATOM 283 N SER A 20 -1.215 -15.698 -12.558 1.00 0.00 N ATOM 284 CA SER A 20 -1.383 -17.094 -13.009 1.00 0.00 C ATOM 285 C SER A 20 -2.859 -17.397 -13.350 1.00 0.00 C ATOM 286 O SER A 20 -3.255 -18.568 -13.444 1.00 0.00 O ATOM 287 CB SER A 20 -0.839 -18.058 -11.932 1.00 0.00 C ATOM 288 OG SER A 20 -1.509 -17.894 -10.690 1.00 0.00 O ATOM 0 H SER A 20 -2.037 -15.317 -12.089 1.00 0.00 H new ATOM 0 HA SER A 20 -0.810 -17.240 -13.925 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.954 -19.087 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.228 -17.885 -11.795 1.00 0.00 H new ATOM 0 HG SER A 20 -1.140 -18.521 -10.034 1.00 0.00 H new ATOM 294 N ALA A 21 -3.651 -16.331 -13.593 1.00 0.00 N ATOM 295 CA ALA A 21 -5.088 -16.440 -13.909 1.00 0.00 C ATOM 296 C ALA A 21 -5.581 -15.180 -14.641 1.00 0.00 C ATOM 297 O ALA A 21 -5.195 -14.056 -14.289 1.00 0.00 O ATOM 298 CB ALA A 21 -5.921 -16.676 -12.628 1.00 0.00 C ATOM 0 H ALA A 21 -3.310 -15.370 -13.575 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.221 -17.299 -14.567 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.976 -16.753 -12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.598 -17.600 -12.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.777 -15.842 -11.941 1.00 0.00 H new ATOM 304 N VAL A 22 -6.419 -15.384 -15.668 1.00 0.00 N ATOM 305 CA VAL A 22 -7.140 -14.315 -16.365 1.00 0.00 C ATOM 306 C VAL A 22 -8.657 -14.513 -16.167 1.00 0.00 C ATOM 307 O VAL A 22 -9.161 -15.651 -16.177 1.00 0.00 O ATOM 308 CB VAL A 22 -6.785 -14.266 -17.905 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.163 -15.577 -18.646 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.427 -13.021 -18.584 1.00 0.00 C ATOM 0 H VAL A 22 -6.616 -16.312 -16.042 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.832 -13.361 -15.938 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.702 -14.173 -17.980 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.898 -15.489 -19.700 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.622 -16.414 -18.204 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.235 -15.750 -18.555 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.168 -13.010 -19.643 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.511 -13.066 -18.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.052 -12.114 -18.109 1.00 0.00 H new ATOM 320 N PHE A 23 -9.366 -13.398 -15.957 1.00 0.00 N ATOM 321 CA PHE A 23 -10.827 -13.374 -15.816 1.00 0.00 C ATOM 322 C PHE A 23 -11.416 -12.996 -17.174 1.00 0.00 C ATOM 323 O PHE A 23 -11.617 -11.815 -17.481 1.00 0.00 O ATOM 324 CB PHE A 23 -11.245 -12.377 -14.689 1.00 0.00 C ATOM 325 CG PHE A 23 -10.487 -12.595 -13.376 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.363 -13.875 -12.833 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.886 -11.533 -12.703 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.675 -14.078 -11.661 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.199 -11.738 -11.527 1.00 0.00 C ATOM 330 CZ PHE A 23 -9.089 -13.016 -11.010 1.00 0.00 C ATOM 0 H PHE A 23 -8.937 -12.476 -15.879 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.211 -14.350 -15.520 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.074 -11.357 -15.034 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.315 -12.476 -14.504 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.813 -14.716 -13.340 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.960 -10.535 -13.109 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.594 -15.073 -11.250 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.748 -10.904 -11.010 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.542 -13.181 -10.093 1.00 0.00 H new ATOM 340 N GLN A 24 -11.620 -14.022 -18.012 1.00 0.00 N ATOM 341 CA GLN A 24 -12.056 -13.857 -19.409 1.00 0.00 C ATOM 342 C GLN A 24 -13.608 -13.905 -19.446 1.00 0.00 C ATOM 343 O GLN A 24 -14.203 -14.695 -18.696 1.00 0.00 O ATOM 344 CB GLN A 24 -11.365 -14.961 -20.278 1.00 0.00 C ATOM 345 CG GLN A 24 -11.600 -14.865 -21.808 1.00 0.00 C ATOM 346 CD GLN A 24 -10.590 -15.632 -22.683 1.00 0.00 C ATOM 347 OE1 GLN A 24 -10.311 -15.231 -23.807 1.00 0.00 O ATOM 348 NE2 GLN A 24 -10.020 -16.714 -22.180 1.00 0.00 N ATOM 0 H GLN A 24 -11.487 -14.996 -17.740 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.759 -12.896 -19.828 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.292 -14.924 -20.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.714 -15.936 -19.937 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.601 -15.236 -22.028 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.579 -13.814 -22.096 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.266 -17.031 -21.242 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.334 -17.232 -22.730 1.00 0.00 H new ATOM 357 N PRO A 25 -14.317 -13.061 -20.288 1.00 0.00 N ATOM 358 CA PRO A 25 -13.729 -12.166 -21.331 1.00 0.00 C ATOM 359 C PRO A 25 -13.446 -10.706 -20.900 1.00 0.00 C ATOM 360 O PRO A 25 -13.347 -9.829 -21.773 1.00 0.00 O ATOM 361 CB PRO A 25 -14.840 -12.230 -22.400 1.00 0.00 C ATOM 362 CG PRO A 25 -16.107 -12.198 -21.598 1.00 0.00 C ATOM 363 CD PRO A 25 -15.801 -12.945 -20.302 1.00 0.00 C ATOM 0 HA PRO A 25 -12.733 -12.490 -21.634 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.781 -11.388 -23.090 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.768 -13.138 -22.999 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.415 -11.172 -21.394 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.924 -12.674 -22.140 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.166 -12.399 -19.432 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.277 -13.925 -20.286 1.00 0.00 H new ATOM 371 N CYS A 26 -13.287 -10.446 -19.585 1.00 0.00 N ATOM 372 CA CYS A 26 -12.991 -9.082 -19.091 1.00 0.00 C ATOM 373 C CYS A 26 -11.574 -8.622 -19.506 1.00 0.00 C ATOM 374 O CYS A 26 -11.431 -7.655 -20.266 1.00 0.00 O ATOM 375 CB CYS A 26 -13.136 -8.964 -17.564 1.00 0.00 C ATOM 376 SG CYS A 26 -12.597 -7.339 -16.948 1.00 0.00 S ATOM 0 H CYS A 26 -13.357 -11.153 -18.853 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.731 -8.431 -19.556 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.177 -9.130 -17.285 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.549 -9.746 -17.083 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.343 -6.987 -15.943 1.00 0.00 H new ATOM 381 N GLY A 27 -10.539 -9.325 -19.000 1.00 0.00 N ATOM 382 CA GLY A 27 -9.137 -8.964 -19.261 1.00 0.00 C ATOM 383 C GLY A 27 -8.323 -8.763 -17.989 1.00 0.00 C ATOM 384 O GLY A 27 -7.093 -8.887 -18.031 1.00 0.00 O ATOM 0 H GLY A 27 -10.653 -10.147 -18.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.673 -9.746 -19.862 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.108 -8.048 -19.852 1.00 0.00 H new ATOM 388 N HIS A 28 -9.004 -8.405 -16.861 1.00 0.00 N ATOM 389 CA HIS A 28 -8.357 -8.305 -15.522 1.00 0.00 C ATOM 390 C HIS A 28 -7.679 -9.632 -15.152 1.00 0.00 C ATOM 391 O HIS A 28 -8.229 -10.709 -15.410 1.00 0.00 O ATOM 392 CB HIS A 28 -9.364 -7.902 -14.397 1.00 0.00 C ATOM 393 CG HIS A 28 -9.630 -6.419 -14.269 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.904 -5.930 -14.139 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.752 -5.386 -14.202 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.774 -4.620 -14.002 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.489 -4.250 -14.034 1.00 0.00 N ATOM 0 H HIS A 28 -9.999 -8.182 -16.855 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.610 -7.515 -15.595 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.311 -8.410 -14.581 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.985 -8.270 -13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.676 -5.451 -14.269 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.601 -3.936 -13.880 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.129 -3.300 -13.949 1.00 0.00 H new ATOM 405 N LYS A 29 -6.493 -9.534 -14.545 1.00 0.00 N ATOM 406 CA LYS A 29 -5.630 -10.685 -14.240 1.00 0.00 C ATOM 407 C LYS A 29 -5.100 -10.598 -12.800 1.00 0.00 C ATOM 408 O LYS A 29 -4.937 -9.505 -12.244 1.00 0.00 O ATOM 409 CB LYS A 29 -4.444 -10.728 -15.243 1.00 0.00 C ATOM 410 CG LYS A 29 -4.846 -10.976 -16.710 1.00 0.00 C ATOM 411 CD LYS A 29 -3.642 -10.988 -17.678 1.00 0.00 C ATOM 412 CE LYS A 29 -4.076 -11.193 -19.140 1.00 0.00 C ATOM 413 NZ LYS A 29 -5.036 -10.153 -19.590 1.00 0.00 N ATOM 0 H LYS A 29 -6.098 -8.642 -14.247 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.217 -11.599 -14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.903 -9.784 -15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.753 -11.512 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.370 -11.929 -16.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.548 -10.203 -17.023 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.098 -10.048 -17.590 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.954 -11.783 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.197 -11.177 -19.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.532 -12.177 -19.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.301 -10.330 -20.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.887 -10.184 -18.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.593 -9.215 -19.513 1.00 0.00 H new ATOM 427 N SER A 30 -4.837 -11.774 -12.221 1.00 0.00 N ATOM 428 CA SER A 30 -4.198 -11.939 -10.903 1.00 0.00 C ATOM 429 C SER A 30 -3.730 -13.398 -10.786 1.00 0.00 C ATOM 430 O SER A 30 -3.799 -14.149 -11.757 1.00 0.00 O ATOM 431 CB SER A 30 -5.179 -11.569 -9.757 1.00 0.00 C ATOM 432 OG SER A 30 -6.275 -12.462 -9.700 1.00 0.00 O ATOM 0 H SER A 30 -5.067 -12.663 -12.664 1.00 0.00 H new ATOM 0 HA SER A 30 -3.345 -11.267 -10.813 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.648 -11.582 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.544 -10.553 -9.904 1.00 0.00 H new ATOM 0 HG SER A 30 -6.946 -12.199 -10.364 1.00 0.00 H new ATOM 438 N CYS A 31 -3.232 -13.802 -9.615 1.00 0.00 N ATOM 439 CA CYS A 31 -2.884 -15.209 -9.375 1.00 0.00 C ATOM 440 C CYS A 31 -4.169 -15.997 -9.070 1.00 0.00 C ATOM 441 O CYS A 31 -5.130 -15.430 -8.521 1.00 0.00 O ATOM 442 CB CYS A 31 -1.892 -15.344 -8.215 1.00 0.00 C ATOM 443 SG CYS A 31 -2.595 -14.970 -6.579 1.00 0.00 S ATOM 0 H CYS A 31 -3.061 -13.183 -8.823 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.405 -15.612 -10.268 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.500 -16.361 -8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.048 -14.678 -8.395 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.442 -13.989 -6.684 1.00 0.00 H new ATOM 448 N LYS A 32 -4.183 -17.295 -9.427 1.00 0.00 N ATOM 449 CA LYS A 32 -5.342 -18.185 -9.197 1.00 0.00 C ATOM 450 C LYS A 32 -5.612 -18.413 -7.695 1.00 0.00 C ATOM 451 O LYS A 32 -6.709 -18.824 -7.322 1.00 0.00 O ATOM 452 CB LYS A 32 -5.144 -19.528 -9.942 1.00 0.00 C ATOM 453 CG LYS A 32 -3.915 -20.360 -9.512 1.00 0.00 C ATOM 454 CD LYS A 32 -3.791 -21.672 -10.323 1.00 0.00 C ATOM 455 CE LYS A 32 -2.589 -22.533 -9.905 1.00 0.00 C ATOM 456 NZ LYS A 32 -2.458 -23.747 -10.759 1.00 0.00 N ATOM 0 H LYS A 32 -3.395 -17.757 -9.881 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.225 -17.689 -9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.038 -20.135 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.064 -19.322 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.011 -19.766 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.990 -20.596 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.705 -22.253 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.705 -21.430 -11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.676 -21.941 -9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.700 -22.831 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.636 -24.303 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.319 -24.324 -10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.327 -23.462 -11.750 1.00 0.00 H new ATOM 470 N ALA A 33 -4.604 -18.125 -6.847 1.00 0.00 N ATOM 471 CA ALA A 33 -4.752 -18.135 -5.379 1.00 0.00 C ATOM 472 C ALA A 33 -5.787 -17.083 -4.910 1.00 0.00 C ATOM 473 O ALA A 33 -6.600 -17.361 -4.020 1.00 0.00 O ATOM 474 CB ALA A 33 -3.386 -17.910 -4.709 1.00 0.00 C ATOM 0 H ALA A 33 -3.665 -17.879 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.128 -19.113 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.506 -17.919 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.700 -18.704 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.982 -16.947 -5.021 1.00 0.00 H new ATOM 480 N CYS A 34 -5.748 -15.883 -5.545 1.00 0.00 N ATOM 481 CA CYS A 34 -6.673 -14.760 -5.240 1.00 0.00 C ATOM 482 C CYS A 34 -8.128 -15.167 -5.465 1.00 0.00 C ATOM 483 O CYS A 34 -8.971 -15.020 -4.572 1.00 0.00 O ATOM 484 CB CYS A 34 -6.344 -13.490 -6.088 1.00 0.00 C ATOM 485 SG CYS A 34 -5.098 -12.399 -5.338 1.00 0.00 S ATOM 0 H CYS A 34 -5.076 -15.667 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.532 -14.514 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.992 -13.804 -7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.262 -12.923 -6.244 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.256 -12.011 -6.249 1.00 0.00 H new ATOM 490 N ILE A 35 -8.405 -15.692 -6.665 1.00 0.00 N ATOM 491 CA ILE A 35 -9.768 -16.021 -7.081 1.00 0.00 C ATOM 492 C ILE A 35 -10.279 -17.276 -6.352 1.00 0.00 C ATOM 493 O ILE A 35 -11.452 -17.346 -6.041 1.00 0.00 O ATOM 494 CB ILE A 35 -9.874 -16.175 -8.640 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.364 -16.356 -9.104 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.974 -17.323 -9.148 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.298 -15.207 -8.729 1.00 0.00 C ATOM 0 H ILE A 35 -7.695 -15.898 -7.368 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.412 -15.188 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.511 -15.250 -9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.380 -16.479 -10.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.754 -17.278 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.067 -17.407 -10.231 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.936 -17.114 -8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.282 -18.260 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.303 -15.422 -9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.319 -15.094 -7.645 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.939 -14.283 -9.183 1.00 0.00 H new ATOM 509 N ASN A 36 -9.382 -18.237 -6.040 1.00 0.00 N ATOM 510 CA ASN A 36 -9.751 -19.464 -5.292 1.00 0.00 C ATOM 511 C ASN A 36 -10.286 -19.088 -3.891 1.00 0.00 C ATOM 512 O ASN A 36 -11.319 -19.594 -3.449 1.00 0.00 O ATOM 513 CB ASN A 36 -8.530 -20.416 -5.177 1.00 0.00 C ATOM 514 CG ASN A 36 -8.870 -21.780 -4.548 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.248 -22.727 -5.244 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.734 -21.895 -3.240 1.00 0.00 N ATOM 0 H ASN A 36 -8.395 -18.188 -6.294 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.538 -19.986 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.111 -20.577 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.757 -19.932 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.943 -22.782 -2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.420 -21.097 -2.688 1.00 0.00 H new ATOM 523 N GLN A 37 -9.561 -18.161 -3.241 1.00 0.00 N ATOM 524 CA GLN A 37 -9.949 -17.549 -1.952 1.00 0.00 C ATOM 525 C GLN A 37 -11.303 -16.810 -2.075 1.00 0.00 C ATOM 526 O GLN A 37 -12.155 -16.868 -1.176 1.00 0.00 O ATOM 527 CB GLN A 37 -8.831 -16.554 -1.535 1.00 0.00 C ATOM 528 CG GLN A 37 -9.100 -15.741 -0.253 1.00 0.00 C ATOM 529 CD GLN A 37 -8.079 -14.617 -0.040 1.00 0.00 C ATOM 530 OE1 GLN A 37 -8.276 -13.499 -0.515 1.00 0.00 O ATOM 531 NE2 GLN A 37 -6.991 -14.908 0.658 1.00 0.00 N ATOM 0 H GLN A 37 -8.674 -17.808 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.067 -18.327 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.905 -17.113 -1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.666 -15.857 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.101 -15.312 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.082 -16.410 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.863 -15.847 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.281 -14.193 0.817 1.00 0.00 H new ATOM 540 N HIS A 38 -11.466 -16.123 -3.214 1.00 0.00 N ATOM 541 CA HIS A 38 -12.622 -15.262 -3.497 1.00 0.00 C ATOM 542 C HIS A 38 -13.885 -16.087 -3.801 1.00 0.00 C ATOM 543 O HIS A 38 -14.979 -15.675 -3.434 1.00 0.00 O ATOM 544 CB HIS A 38 -12.283 -14.332 -4.679 1.00 0.00 C ATOM 545 CG HIS A 38 -13.282 -13.236 -4.931 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.382 -12.166 -4.075 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.176 -13.080 -5.939 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.318 -11.391 -4.582 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.826 -11.902 -5.710 1.00 0.00 N ATOM 0 H HIS A 38 -10.788 -16.150 -3.976 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.836 -14.665 -2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.308 -13.880 -4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.192 -14.935 -5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.342 -13.757 -6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.637 -10.458 -4.142 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.559 -11.490 -6.288 1.00 0.00 H new ATOM 557 N LEU A 39 -13.714 -17.275 -4.435 1.00 0.00 N ATOM 558 CA LEU A 39 -14.842 -18.149 -4.863 1.00 0.00 C ATOM 559 C LEU A 39 -15.535 -18.828 -3.667 1.00 0.00 C ATOM 560 O LEU A 39 -16.583 -19.461 -3.827 1.00 0.00 O ATOM 561 CB LEU A 39 -14.369 -19.217 -5.892 1.00 0.00 C ATOM 562 CG LEU A 39 -13.930 -18.689 -7.300 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.472 -19.843 -8.222 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.043 -17.836 -7.967 1.00 0.00 C ATOM 0 H LEU A 39 -12.795 -17.655 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.574 -17.502 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.532 -19.762 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.177 -19.934 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.072 -18.035 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.175 -19.439 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.625 -20.357 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.293 -20.547 -8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.700 -17.488 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.940 -18.442 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.271 -16.978 -7.335 1.00 0.00 H new ATOM 576 N MET A 40 -14.932 -18.700 -2.479 1.00 0.00 N ATOM 577 CA MET A 40 -15.541 -19.143 -1.215 1.00 0.00 C ATOM 578 C MET A 40 -16.657 -18.151 -0.795 1.00 0.00 C ATOM 579 O MET A 40 -17.589 -18.513 -0.070 1.00 0.00 O ATOM 580 CB MET A 40 -14.455 -19.251 -0.111 1.00 0.00 C ATOM 581 CG MET A 40 -13.195 -20.028 -0.530 1.00 0.00 C ATOM 582 SD MET A 40 -13.554 -21.689 -1.139 1.00 0.00 S ATOM 583 CE MET A 40 -11.916 -22.260 -1.587 1.00 0.00 C ATOM 0 H MET A 40 -14.007 -18.286 -2.365 1.00 0.00 H new ATOM 0 HA MET A 40 -15.987 -20.128 -1.354 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.162 -18.246 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.891 -19.734 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.672 -19.469 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.519 -20.099 0.322 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.862 -23.342 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.712 -22.001 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.176 -21.785 -0.942 1.00 0.00 H new ATOM 593 N ASN A 41 -16.540 -16.900 -1.277 1.00 0.00 N ATOM 594 CA ASN A 41 -17.477 -15.797 -0.980 1.00 0.00 C ATOM 595 C ASN A 41 -18.281 -15.413 -2.254 1.00 0.00 C ATOM 596 O ASN A 41 -19.475 -15.723 -2.362 1.00 0.00 O ATOM 597 CB ASN A 41 -16.680 -14.577 -0.433 1.00 0.00 C ATOM 598 CG ASN A 41 -17.550 -13.349 -0.108 1.00 0.00 C ATOM 599 OD1 ASN A 41 -18.688 -13.465 0.344 1.00 0.00 O ATOM 600 ND2 ASN A 41 -17.020 -12.164 -0.344 1.00 0.00 N ATOM 0 H ASN A 41 -15.778 -16.621 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.190 -16.119 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.148 -14.880 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.927 -14.291 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.556 -11.318 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.074 -12.094 -0.719 1.00 0.00 H new ATOM 607 N ASN A 42 -17.612 -14.742 -3.216 1.00 0.00 N ATOM 608 CA ASN A 42 -18.246 -14.211 -4.455 1.00 0.00 C ATOM 609 C ASN A 42 -17.594 -14.817 -5.719 1.00 0.00 C ATOM 610 O ASN A 42 -16.743 -15.698 -5.636 1.00 0.00 O ATOM 611 CB ASN A 42 -18.136 -12.657 -4.484 1.00 0.00 C ATOM 612 CG ASN A 42 -18.907 -11.928 -3.368 1.00 0.00 C ATOM 613 OD1 ASN A 42 -18.514 -10.850 -2.932 1.00 0.00 O ATOM 614 ND2 ASN A 42 -20.020 -12.491 -2.909 1.00 0.00 N ATOM 0 H ASN A 42 -16.612 -14.549 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.298 -14.496 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.084 -12.381 -4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.499 -12.300 -5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -20.564 -12.027 -2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -20.330 -13.387 -3.284 1.00 0.00 H new ATOM 621 N LYS A 43 -18.024 -14.329 -6.894 1.00 0.00 N ATOM 622 CA LYS A 43 -17.523 -14.783 -8.204 1.00 0.00 C ATOM 623 C LYS A 43 -17.282 -13.557 -9.122 1.00 0.00 C ATOM 624 O LYS A 43 -17.205 -13.678 -10.353 1.00 0.00 O ATOM 625 CB LYS A 43 -18.566 -15.769 -8.804 1.00 0.00 C ATOM 626 CG LYS A 43 -18.093 -16.589 -10.033 1.00 0.00 C ATOM 627 CD LYS A 43 -19.209 -17.488 -10.609 1.00 0.00 C ATOM 628 CE LYS A 43 -20.407 -16.681 -11.141 1.00 0.00 C ATOM 629 NZ LYS A 43 -21.497 -17.549 -11.653 1.00 0.00 N ATOM 0 H LYS A 43 -18.736 -13.602 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.569 -15.302 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.871 -16.465 -8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.452 -15.202 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.744 -15.907 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.243 -17.209 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.800 -18.097 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.553 -18.174 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.796 -16.047 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.069 -16.019 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.279 -16.957 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.136 -18.136 -12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.841 -18.163 -10.887 1.00 0.00 H new ATOM 643 N ASP A 44 -17.142 -12.363 -8.503 1.00 0.00 N ATOM 644 CA ASP A 44 -16.956 -11.109 -9.256 1.00 0.00 C ATOM 645 C ASP A 44 -15.470 -10.883 -9.586 1.00 0.00 C ATOM 646 O ASP A 44 -14.578 -11.490 -8.981 1.00 0.00 O ATOM 647 CB ASP A 44 -17.549 -9.896 -8.492 1.00 0.00 C ATOM 648 CG ASP A 44 -16.749 -9.464 -7.247 1.00 0.00 C ATOM 649 OD1 ASP A 44 -16.997 -10.013 -6.162 1.00 0.00 O ATOM 650 OD2 ASP A 44 -15.880 -8.574 -7.358 1.00 0.00 O ATOM 0 H ASP A 44 -17.155 -12.245 -7.490 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.501 -11.202 -10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.615 -9.050 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.567 -10.139 -8.187 1.00 0.00 H new ATOM 655 N CYS A 45 -15.223 -9.971 -10.533 1.00 0.00 N ATOM 656 CA CYS A 45 -13.885 -9.708 -11.099 1.00 0.00 C ATOM 657 C CYS A 45 -13.141 -8.594 -10.330 1.00 0.00 C ATOM 658 O CYS A 45 -12.434 -7.773 -10.936 1.00 0.00 O ATOM 659 CB CYS A 45 -14.069 -9.360 -12.591 1.00 0.00 C ATOM 660 SG CYS A 45 -12.551 -9.018 -13.513 1.00 0.00 S ATOM 0 H CYS A 45 -15.953 -9.384 -10.937 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.258 -10.594 -11.000 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.588 -10.187 -13.076 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.720 -8.489 -12.664 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.777 -8.249 -12.806 1.00 0.00 H new ATOM 665 N PHE A 46 -13.310 -8.606 -8.982 1.00 0.00 N ATOM 666 CA PHE A 46 -12.571 -7.767 -8.009 1.00 0.00 C ATOM 667 C PHE A 46 -12.722 -6.252 -8.293 1.00 0.00 C ATOM 668 O PHE A 46 -13.614 -5.591 -7.751 1.00 0.00 O ATOM 669 CB PHE A 46 -11.064 -8.170 -7.930 1.00 0.00 C ATOM 670 CG PHE A 46 -10.796 -9.610 -7.476 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.854 -10.672 -8.383 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.464 -9.897 -6.149 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.586 -11.963 -7.981 1.00 0.00 C ATOM 674 CE2 PHE A 46 -10.188 -11.193 -5.754 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.250 -12.224 -6.671 1.00 0.00 C ATOM 0 H PHE A 46 -13.987 -9.221 -8.531 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.025 -7.957 -7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.614 -8.026 -8.912 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.558 -7.490 -7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.113 -10.478 -9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.423 -9.098 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.640 -12.772 -8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.924 -11.399 -4.727 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.035 -13.236 -6.361 1.00 0.00 H new ATOM 685 N PHE A 47 -11.868 -5.746 -9.198 1.00 0.00 N ATOM 686 CA PHE A 47 -11.678 -4.312 -9.455 1.00 0.00 C ATOM 687 C PHE A 47 -12.940 -3.703 -10.093 1.00 0.00 C ATOM 688 O PHE A 47 -13.460 -2.688 -9.620 1.00 0.00 O ATOM 689 CB PHE A 47 -10.449 -4.104 -10.384 1.00 0.00 C ATOM 690 CG PHE A 47 -9.194 -4.872 -9.946 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.343 -4.361 -8.962 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.873 -6.111 -10.516 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.218 -5.063 -8.564 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.748 -6.807 -10.117 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.921 -6.282 -9.144 1.00 0.00 C ATOM 0 H PHE A 47 -11.278 -6.337 -9.783 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.498 -3.806 -8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.715 -4.412 -11.395 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.215 -3.040 -10.426 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.566 -3.407 -8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.514 -6.528 -11.278 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.572 -4.658 -7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.516 -7.761 -10.566 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.040 -6.825 -8.835 1.00 0.00 H new ATOM 705 N CYS A 48 -13.433 -4.357 -11.163 1.00 0.00 N ATOM 706 CA CYS A 48 -14.614 -3.880 -11.924 1.00 0.00 C ATOM 707 C CYS A 48 -15.903 -4.603 -11.475 1.00 0.00 C ATOM 708 O CYS A 48 -16.999 -4.239 -11.917 1.00 0.00 O ATOM 709 CB CYS A 48 -14.392 -4.089 -13.438 1.00 0.00 C ATOM 710 SG CYS A 48 -14.549 -5.819 -13.977 1.00 0.00 S ATOM 0 H CYS A 48 -13.032 -5.222 -11.525 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.735 -2.816 -11.721 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.111 -3.481 -13.987 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.399 -3.725 -13.703 1.00 0.00 H new ATOM 0 HG CYS A 48 -13.560 -6.514 -13.498 1.00 0.00 H new ATOM 715 N LYS A 49 -15.750 -5.642 -10.612 1.00 0.00 N ATOM 716 CA LYS A 49 -16.851 -6.437 -10.018 1.00 0.00 C ATOM 717 C LYS A 49 -17.758 -7.171 -11.069 1.00 0.00 C ATOM 718 O LYS A 49 -18.818 -7.707 -10.724 1.00 0.00 O ATOM 719 CB LYS A 49 -17.667 -5.524 -9.056 1.00 0.00 C ATOM 720 CG LYS A 49 -18.691 -6.239 -8.148 1.00 0.00 C ATOM 721 CD LYS A 49 -19.531 -5.255 -7.322 1.00 0.00 C ATOM 722 CE LYS A 49 -18.725 -4.535 -6.233 1.00 0.00 C ATOM 723 NZ LYS A 49 -19.576 -3.622 -5.432 1.00 0.00 N ATOM 0 H LYS A 49 -14.830 -5.956 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.403 -7.255 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.966 -4.981 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.197 -4.782 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.352 -6.850 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.165 -6.916 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.970 -4.514 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.356 -5.794 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.263 -5.272 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.917 -3.968 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.996 -3.154 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.997 -2.904 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.333 -4.167 -4.972 1.00 0.00 H new ATOM 737 N THR A 50 -17.319 -7.246 -12.338 1.00 0.00 N ATOM 738 CA THR A 50 -18.056 -7.974 -13.393 1.00 0.00 C ATOM 739 C THR A 50 -18.110 -9.487 -13.069 1.00 0.00 C ATOM 740 O THR A 50 -17.095 -10.064 -12.679 1.00 0.00 O ATOM 741 CB THR A 50 -17.389 -7.741 -14.788 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.306 -6.330 -15.045 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.155 -8.430 -15.942 1.00 0.00 C ATOM 0 H THR A 50 -16.455 -6.811 -12.661 1.00 0.00 H new ATOM 0 HA THR A 50 -19.075 -7.589 -13.428 1.00 0.00 H new ATOM 0 HB THR A 50 -16.395 -8.187 -14.750 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.610 -5.935 -14.479 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.646 -8.233 -16.885 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.189 -9.505 -15.765 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.171 -8.038 -15.990 1.00 0.00 H new ATOM 751 N THR A 51 -19.299 -10.105 -13.210 1.00 0.00 N ATOM 752 CA THR A 51 -19.480 -11.550 -12.982 1.00 0.00 C ATOM 753 C THR A 51 -18.636 -12.344 -14.004 1.00 0.00 C ATOM 754 O THR A 51 -18.903 -12.283 -15.219 1.00 0.00 O ATOM 755 CB THR A 51 -20.985 -11.958 -13.092 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.778 -11.106 -12.258 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.229 -13.421 -12.679 1.00 0.00 C ATOM 0 H THR A 51 -20.154 -9.620 -13.483 1.00 0.00 H new ATOM 0 HA THR A 51 -19.145 -11.784 -11.971 1.00 0.00 H new ATOM 0 HB THR A 51 -21.270 -11.851 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.721 -11.363 -12.330 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.290 -13.654 -12.773 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.653 -14.083 -13.326 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.917 -13.564 -11.644 1.00 0.00 H new ATOM 765 N ILE A 52 -17.600 -13.042 -13.500 1.00 0.00 N ATOM 766 CA ILE A 52 -16.628 -13.761 -14.340 1.00 0.00 C ATOM 767 C ILE A 52 -17.305 -14.974 -14.999 1.00 0.00 C ATOM 768 O ILE A 52 -17.883 -15.811 -14.297 1.00 0.00 O ATOM 769 CB ILE A 52 -15.384 -14.247 -13.503 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.809 -13.089 -12.620 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.281 -14.814 -14.441 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.746 -13.522 -11.632 1.00 0.00 C ATOM 0 H ILE A 52 -17.415 -13.122 -12.500 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.274 -13.069 -15.105 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.719 -15.043 -12.838 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.390 -12.324 -13.274 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.629 -12.625 -12.072 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.431 -15.144 -13.845 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.680 -15.659 -15.003 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.958 -14.037 -15.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.404 -12.657 -11.063 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.163 -14.263 -10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.904 -13.958 -12.171 1.00 0.00 H new ATOM 784 N VAL A 53 -17.245 -15.039 -16.342 1.00 0.00 N ATOM 785 CA VAL A 53 -17.790 -16.165 -17.115 1.00 0.00 C ATOM 786 C VAL A 53 -16.918 -17.410 -16.905 1.00 0.00 C ATOM 787 O VAL A 53 -17.429 -18.481 -16.554 1.00 0.00 O ATOM 788 CB VAL A 53 -17.897 -15.812 -18.646 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.443 -17.001 -19.478 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.762 -14.545 -18.850 1.00 0.00 C ATOM 0 H VAL A 53 -16.818 -14.314 -16.918 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.798 -16.372 -16.756 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.890 -15.606 -19.009 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.501 -16.714 -20.528 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.776 -17.856 -19.372 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.437 -17.269 -19.120 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.826 -14.315 -19.914 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.763 -14.721 -18.456 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.307 -13.706 -18.324 1.00 0.00 H new ATOM 800 N SER A 54 -15.598 -17.249 -17.102 1.00 0.00 N ATOM 801 CA SER A 54 -14.626 -18.333 -16.913 1.00 0.00 C ATOM 802 C SER A 54 -13.314 -17.790 -16.317 1.00 0.00 C ATOM 803 O SER A 54 -12.772 -16.765 -16.780 1.00 0.00 O ATOM 804 CB SER A 54 -14.368 -19.032 -18.268 1.00 0.00 C ATOM 805 OG SER A 54 -13.999 -18.100 -19.271 1.00 0.00 O ATOM 0 H SER A 54 -15.179 -16.367 -17.395 1.00 0.00 H new ATOM 0 HA SER A 54 -15.032 -19.060 -16.210 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.578 -19.774 -18.151 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.265 -19.567 -18.579 1.00 0.00 H new ATOM 0 HG SER A 54 -13.081 -18.280 -19.563 1.00 0.00 H new ATOM 811 N VAL A 55 -12.819 -18.498 -15.282 1.00 0.00 N ATOM 812 CA VAL A 55 -11.525 -18.224 -14.650 1.00 0.00 C ATOM 813 C VAL A 55 -10.519 -19.258 -15.167 1.00 0.00 C ATOM 814 O VAL A 55 -10.586 -20.441 -14.808 1.00 0.00 O ATOM 815 CB VAL A 55 -11.592 -18.295 -13.080 1.00 0.00 C ATOM 816 CG1 VAL A 55 -10.256 -17.824 -12.472 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.789 -17.491 -12.506 1.00 0.00 C ATOM 0 H VAL A 55 -13.316 -19.283 -14.861 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.224 -17.208 -14.907 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.757 -19.335 -12.800 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.312 -17.877 -11.385 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.449 -18.466 -12.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.061 -16.796 -12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.793 -17.570 -11.419 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.695 -16.444 -12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.721 -17.894 -12.902 1.00 0.00 H new ATOM 827 N GLU A 56 -9.612 -18.807 -16.032 1.00 0.00 N ATOM 828 CA GLU A 56 -8.647 -19.676 -16.731 1.00 0.00 C ATOM 829 C GLU A 56 -7.225 -19.333 -16.305 1.00 0.00 C ATOM 830 O GLU A 56 -6.968 -18.226 -15.834 1.00 0.00 O ATOM 831 CB GLU A 56 -8.850 -19.496 -18.252 1.00 0.00 C ATOM 832 CG GLU A 56 -10.258 -19.922 -18.735 1.00 0.00 C ATOM 833 CD GLU A 56 -10.593 -19.440 -20.148 1.00 0.00 C ATOM 834 OE1 GLU A 56 -10.121 -20.048 -21.136 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.334 -18.451 -20.279 1.00 0.00 O ATOM 0 H GLU A 56 -9.520 -17.821 -16.274 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.813 -20.722 -16.472 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.685 -18.451 -18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.099 -20.080 -18.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.330 -21.009 -18.704 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.004 -19.534 -18.041 1.00 0.00 H new ATOM 842 N ASP A 57 -6.305 -20.293 -16.469 1.00 0.00 N ATOM 843 CA ASP A 57 -4.893 -20.103 -16.106 1.00 0.00 C ATOM 844 C ASP A 57 -4.187 -19.274 -17.189 1.00 0.00 C ATOM 845 O ASP A 57 -4.312 -19.560 -18.387 1.00 0.00 O ATOM 846 CB ASP A 57 -4.184 -21.465 -15.861 1.00 0.00 C ATOM 847 CG ASP A 57 -4.116 -22.374 -17.103 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.151 -22.968 -17.477 1.00 0.00 O ATOM 849 OD2 ASP A 57 -3.032 -22.494 -17.718 1.00 0.00 O ATOM 0 H ASP A 57 -6.515 -21.214 -16.853 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.840 -19.553 -15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.171 -21.276 -15.507 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.706 -21.995 -15.065 1.00 0.00 H new ATOM 854 N TRP A 58 -3.511 -18.208 -16.757 1.00 0.00 N ATOM 855 CA TRP A 58 -2.702 -17.360 -17.633 1.00 0.00 C ATOM 856 C TRP A 58 -1.236 -17.509 -17.215 1.00 0.00 C ATOM 857 O TRP A 58 -0.833 -17.005 -16.161 1.00 0.00 O ATOM 858 CB TRP A 58 -3.157 -15.877 -17.552 1.00 0.00 C ATOM 859 CG TRP A 58 -2.435 -14.965 -18.527 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.694 -14.824 -19.859 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.335 -14.086 -18.243 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.826 -13.920 -20.416 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.985 -13.451 -19.443 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.619 -13.778 -17.088 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.060 -12.533 -19.523 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.410 -12.861 -17.161 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.742 -12.246 -18.369 1.00 0.00 C ATOM 0 H TRP A 58 -3.510 -17.907 -15.782 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.827 -17.672 -18.670 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.229 -15.824 -17.743 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.996 -15.511 -16.538 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.470 -15.348 -20.397 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.810 -13.642 -21.397 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.866 -14.250 -16.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.323 -12.065 -20.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.967 -12.615 -16.269 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.551 -11.531 -18.395 1.00 0.00 H new